Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "17b9ed7e0c48b4df50227a378ffce885",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 45.60,
"b": 86.39,
"c": 125.64,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [33.940,1.530],
"number_observations": 494930,
"number_observations_unique": 74160,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 13.600
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.570,1.530],
"number_observations": 37657,
"number_observations_unique": 5408,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.393
},
{
"type": "R(meas)",
"value": 1.504
},
{
"type": "R(pim)",
"value": 0.563
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.565
}
]
},
{
"resolution_limits": [33.940,6.840],
"number_observations": 6237,
"number_observations_unique": 965,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 42.900
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}